4-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(3-bromo-4-hydroxy-5-methoxy-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one CAS Name: 4-[(3-bromo-4-hydroxy-5-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(3-bromo-4-hydroxy-5-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(3-bromo-4-hydroxy-5-methoxy-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-3-pyrazolin-3-one Formula: C16H17BrN4O4 MolecularWeight: 409.23458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC(=C(C(=C2)Br)O)OC)C3=C(NNC3=O)C

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC(=C(C(=C2)Br)O)OC)C3=C(NNC3=O)C

InChI

InChI=1S/C16H17BrN4O4/c1-6-11(15(23)20-18-6)13(12-7(2)19-21-16(12)24)8-4-9(17)14(22)10(5-8)25-3/h4-5,13,22H,1-3H3,(H2,18,20,23)(H2,19,21,24)